CID 6495

2,2-dimethoxypropane

Structural Information

Molecular Formula
C5H12O2
SMILES
CC(C)(OC)OC
InChI
InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3
InChIKey
HEWZVZIVELJPQZ-UHFFFAOYSA-N
Compound name
2,2-dimethoxypropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

52
References

29282
Patents

104.08373 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.09101 119.7
[M+Na]+ 127.07295 130.3
[M+NH4]+ 122.11755 128.0
[M+K]+ 143.04689 125.9
[M-H]- 103.07645 118.8
[M+Na-2H]- 125.05840 124.2
[M]+ 104.08318 120.9
[M]- 104.08428 120.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe